General Information of the Compound
| Compound ID |
CP0484253
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| Compound Name |
1'-acetyl-N-[(2-chlorophenyl)methyl]-2-cyclopropyl-1-(4-fluorophenyl)sulfonylspiro[2H-indole-3,4'-piperidine]-5-carboxamide
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| Structure |
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| Formula |
C31H31ClFN3O4S
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| Molecular Weight |
596.124
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| Canonical SMILES |
CC(=O)N1CCC2(CC1)C(C1CC1)N(c1ccc(cc21)C(=O)NCc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C31H31ClFN3O4S/c1-20(37)35-16-14-31(15-17-35)26-18-22(30(38)34-19-23-4-2-3-5-27(23)32)8-13-28(26)36(29(31)21-6-7-21)41(39,40)25-11-9-24(33)10-12-25/h2-5,8-13,18,21,29H,6-7,14-17,19H2,1H3,(H,34,38)
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| InChIKey |
XMXUFLCMHKGEAV-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound